(4R)-5-fluoro-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline

C14H19FN2 — CID 9168839

IUPAC(4R)-5-fluoro-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline
SMILESFc1cccc2c1[C@@H](N1CCCCC1)CNC2
InChIInChI=1S/C14H19FN2/c15-12-6-4-5-11-9-16-10-13(14(11)12)17-7-2-1-3-8-17/h4-6,13,16H,1-3,7-10H2/t13-/m0/s1
InChIKeyPTMUGSFXFBSBDD-ZDUSSCGKSA-N
MW234.32 g/mol
LogP2.46
Rot. Bonds1

About (4R)-5-fluoro-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline

(4R)-5-fluoro-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 9168839) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is (4R)-5-fluoro-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(4R)-5-fluoro-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline
PubChem CID9168839
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name(4R)-5-fluoro-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline
SMILESFc1cccc2c1[C@@H](N1CCCCC1)CNC2
InChIInChI=1S/C14H19FN2/c15-12-6-4-5-11-9-16-10-13(14(11)12)17-7-2-1-3-8-17/h4-6,13,16H,1-3,7-10H2/t13-/m0/s1
InChIKeyPTMUGSFXFBSBDD-ZDUSSCGKSA-N
XLogP2.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-5-fluoro-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (4R)-5-fluoro-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline (CID 9168839) is (4R)-5-fluoro-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (4R)-5-fluoro-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (4R)-5-fluoro-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline is Fc1cccc2c1[C@@H](N1CCCCC1)CNC2.
What is the InChIKey of (4R)-5-fluoro-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is PTMUGSFXFBSBDD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19FN2/c15-12-6-4-5-11-9-16-10-13(14(11)12)17-7-2-1-3-8-17/h4-6,13,16H,1-3,7-10H2/t13-/m0/s1.
What are the key properties of (4R)-5-fluoro-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline?
(4R)-5-fluoro-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 234.32 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-fluoro-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 9168839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).